ethyl 3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethylcarbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[2-[4-(m-tolyl)piperazin-1-yl]ethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-[4-(3-methylphenyl)-1-piperazinyl]ethylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[2-[4-(3-methylphenyl)piperazin-1-yl]ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[2-[4-(m-tolyl)piperazino]ethylcarbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCN2CCN(CC2)C3=CC=CC(=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCN2CCN(CC2)C3=CC=CC(=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O5/c1-3-32-23(29)19-14-18(15-21(16-19)27(30)31)22(28)24-7-8-25-9-11-26(12-10-25)20-6-4-5-17(2)13-20/h4-6,13-16H,3,7-12H2,1-2H3,(H,24,28)